SCHEMBL9912461

SCHEMBL9912461

O=[N+]([O-])c1nn(C2CCCCO2)cc1CBr

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9912468 0.88 CYP1A2 (0.35) CYP1A2HPGDGAACD274ALDH1A1
SCHEMBL319862 0.83 ALDH1A1 (0.37) CYP1A2HPGDCD274KDM5BALDH1A1
SCHEMBL17610374 0.76 ATR (0.35) CD274ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL15465348 0.75 SLC18A3 (0.32) KMT2A
SCHEMBL15465350 0.75 SLC18A3 (0.32) KMT2A
SCHEMBL15465141 0.74 SLC18A3 (0.31) KMT2A
SCHEMBL15465140 0.74 SLC18A3 (0.31) KMT2A
SCHEMBL9912458 0.74 LMNA (0.38) CYP1A2HPGDGAAALDH1A1POLB
SCHEMBL15464452 0.73
SCHEMBL1690922 0.73 ABL1 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US claimed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
WO-2012073143-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 CYP1A2 3189/4885HPGD 3911/4885GAA 750/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 CYP1A2 3189/4885HPGD 3911/4885GAA 750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.